Taurodehydrocholate
TL;DR: Taurodehydrocholate (CAS 517-37-3) is a chemical compound with molecular formula C26H39NO7S and molecular weight 509.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Also Known As: taurodehydrocholate, TAURODEHYDROCHOLIC ACID, TDHCA, Sodium taurodehydrocholate, Ursodeoxycholic acid impurity 52
| Molecular Formula | C26H39NO7S |
|---|---|
| Molecular Weight | 509.24 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.24472 |
| Heavy Atoms | 35 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 517-37-3 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C |
| InChIKey | UBDJSBRKNHQFPD-PYGYYAGESA-N |
Product Overview
Taurodehydrocholate (CAS 517-37-3), with molecular formula C26H39NO7S and molecular weight 509.24 g/mol. IUPAC: 2-[[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid.
Chemical Property Profile of Taurodehydrocholate
Property Insights of Taurodehydrocholate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Taurodehydrocholate. The TPSA of 143.0 Ų indicates high polarity, suggesting Taurodehydrocholate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taurodehydrocholate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Taurodehydrocholate?
The CAS number of Taurodehydrocholate is 517-37-3.
What is the molecular formula of Taurodehydrocholate?
The molecular formula of Taurodehydrocholate is C26H39NO7S.
What is the molecular weight of Taurodehydrocholate?
The molecular weight of Taurodehydrocholate is 509.24 g/mol.
Where can I buy Taurodehydrocholate?
You can request a quote for Taurodehydrocholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taurodehydrocholate?
Yes, KEHONG BIO provides custom synthesis services for Taurodehydrocholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.